2-[(2S)-7-methyl-3-oxidanylidene-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-7-methyl-3-oxidanylidene-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-7-methyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-7-methyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-7-methyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-7-methyl-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]acetate Formula: C20H20NO4- MolecularWeight: 338.3771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)[O-])CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)[O-])CCCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO4/c1-14-9-10-16-17(12-14)25-18(13-19(22)23)20(24)21(16)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3,(H,22,23)/p-1/t18-/m0/s1